Task 38672464

Name test_160-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0344_0
Workunit 31614604
Created 25 Oct 2026, 23:30:04 UTC
Sent 25 Oct 2026, 23:30:15 UTC
Report deadline 30 Oct 2026, 23:30:15 UTC
Received 26 Oct 2026, 0:03:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 33 sec
CPU time 24 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.54 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:56 (8428): wrapper (7.9.26016): starting
18:37:56 (8428): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
18:37:57 (8428): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:57 (8428): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:02:47 (8428): C:/Windows/system32/cmd.exe exited; CPU time 1486.000000
19:02:47 (8428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 23433893 bytes.
Dumping objects ->
{3835550} normal block at 0x000001CBD2F16100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001CBD2F16090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000001CBD2F15FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000001CBD2F15E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000001CBD2F15F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000001CBD4CF8870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001CBD4D0EB00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835461} normal block at 0x000001CBD2F0F150, 8 bytes long.
 Data: <  K&#211;&#203;   > 00 00 4B D3 CB 01 00 00 
{3834683} normal block at 0x000001CBD4D0E160, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001CBD2F0E5C0, 8 bytes long.
 Data: <&#176;&#161;&#208;&#212;&#203;   > B0 A1 D0 D4 CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CBD2F10680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CBD2F06610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001CBD2F15210, 16 bytes long.
 Data: <&#232;Z&#241;&#210;&#203;           > E8 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CBD2F149A0, 16 bytes long.
 Data: <&#192;Z&#241;&#210;&#203;           > C0 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CBD2F100B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001CBD2F151C0, 16 bytes long.
 Data: < Z&#241;&#210;&#203;           > 98 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CBD2F14770, 16 bytes long.
 Data: <pZ&#241;&#210;&#203;           > 70 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CBD2F14540, 16 bytes long.
 Data: <HZ&#241;&#210;&#203;           > 48 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CBD2F14A90, 16 bytes long.
 Data: < Z&#241;&#210;&#203;           > 20 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CBD2F15D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001CBD2F14B80, 16 bytes long.
 Data: <&#232;&#237;&#239;&#210;&#203;           > E8 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CBD2F0F690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001CBD2F14450, 16 bytes long.
 Data: <&#192;&#237;&#239;&#210;&#203;           > C0 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CBD2F14E50, 16 bytes long.
 Data: < &#237;&#239;&#210;&#203;           > 98 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CBD2F15170, 16 bytes long.
 Data: <p&#237;&#239;&#210;&#203;           > 70 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CBD2F15350, 16 bytes long.
 Data: <H&#237;&#239;&#210;&#203;           > 48 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CBD2F14B30, 16 bytes long.
 Data: < &#237;&#239;&#210;&#203;           > 20 ED EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CBD2F144A0, 16 bytes long.
 Data: <&#248;&#236;&#239;&#210;&#203;           > F8 EC EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CBD2F0FBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001CBD2F14C20, 16 bytes long.
 Data: <&#208;&#236;&#239;&#210;&#203;           > D0 EC EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CBD2EFECD0, 320 bytes long.
 Data: < L&#241;&#210;&#203;   &#208;&#251;&#240;&#210;&#203;   > 20 4C F1 D2 CB 01 00 00 D0 FB F0 D2 CB 01 00 00 
{273} normal block at 0x000001CBD2F14F90, 16 bytes long.
 Data: < Z&#241;&#210;&#203;           > 00 5A F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CBD2F146D0, 16 bytes long.
 Data: <&#216;Y&#241;&#210;&#203;           > D8 59 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CBD2F0F5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001CBD2F14E00, 16 bytes long.
 Data: <&#176;Y&#241;&#210;&#203;           > B0 59 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CBD2F0F9F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001CBD2F14950, 16 bytes long.
 Data: <&#248;X&#241;&#210;&#203;           > F8 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CBD2F14D60, 16 bytes long.
 Data: <&#208;X&#241;&#210;&#203;           > D0 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CBD2F14400, 16 bytes long.
 Data: <&#168;X&#241;&#210;&#203;           > A8 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CBD2F14900, 16 bytes long.
 Data: < X&#241;&#210;&#203;           > 80 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CBD2F15120, 16 bytes long.
 Data: <XX&#241;&#210;&#203;           > 58 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CBD2F14AE0, 16 bytes long.
 Data: <0X&#241;&#210;&#203;           > 30 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CBD2F14C70, 16 bytes long.
 Data: <&#160;&#192;&#239;&#210;&#203;           > A0 C0 EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CBD2EFC0A0, 40 bytes long.
 Data: <pL&#241;&#210;&#203;   p &#207;&#212;&#203;   > 70 4C F1 D2 CB 01 00 00 70 88 CF D4 CB 01 00 00 
{259} normal block at 0x000001CBD2F15080, 16 bytes long.
 Data: < X&#241;&#210;&#203;           > 10 58 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CBD2F14810, 16 bytes long.
 Data: <&#232;W&#241;&#210;&#203;           > E8 57 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CBD2F0FE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001CBD2F14EF0, 16 bytes long.
 Data: <&#192;W&#241;&#210;&#203;           > C0 57 F1 D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CBD2F157C0, 992 bytes long.
 Data: <&#240;N&#241;&#210;&#203;   p&#254;&#240;&#210;&#203;   > F0 4E F1 D2 CB 01 00 00 70 FE F0 D2 CB 01 00 00 
{91} normal block at 0x000001CBD2F0F570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001CBD2F0E750, 16 bytes long.
 Data: <p&#198;&#239;&#210;&#203;           > 70 C6 EF D2 CB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001CBD2EFC670, 40 bytes long.
 Data: <P&#231;&#240;&#210;&#203;   p&#245;&#240;&#210;&#203;   > 50 E7 F0 D2 CB 01 00 00 70 F5 F0 D2 CB 01 00 00 
{68} normal block at 0x000001CBD2F0E480, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CBD2F0E610, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CBD2F0F330, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CBD2F0E430, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CBD2F0E700, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CBD2F0E4D0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CBD2F0E3E0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CBD2F0E6B0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CBD2F0F1F0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CBD2F0EF20, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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